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3-Pentanone, 1,5-bis[2-iodo-4-methoxy-5-(1-methylethoxy)phenyl]-
SpectraBase Compound ID 9bq0ZAZ4oRw
InChI InChI=1S/C25H32I2O5/c1-15(2)31-24-20(29-5)13-9-17(22(24)26)7-11-19(28)12-8-18-10-14-21(30-6)25(23(18)27)32-16(3)4/h9-10,13-16H,7-8,11-12H2,1-6H3
InChIKey YFTBTYCWYIJQBK-UHFFFAOYSA-N
Mol Weight 666.3 g/mol
Molecular Formula C25H32I2O5
Exact Mass 666.033914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8SzizrNeTT
Name 3-Pentanone, 1,5-bis[2-iodo-4-methoxy-5-(1-methylethoxy)phenyl]-
CAS Registry Number 99896-44-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32I2O5
InChI InChI=1S/C25H32I2O5/c1-15(2)31-24-20(29-5)13-9-17(22(24)26)7-11-19(28)12-8-18-10-14-21(30-6)25(23(18)27)32-16(3)4/h9-10,13-16H,7-8,11-12H2,1-6H3
InChIKey YFTBTYCWYIJQBK-UHFFFAOYSA-N
Molecular Weight 666.335 g/mol
SMILES c1(c(c(CCC(=O)CCc2c(c(OC(C)C)c(cc2)OC)I)ccc1OC)I)OC(C)C
SPLASH splash10-03di-0093000000-f16fda29635151f6d619
Source of Spectrum B-38-547-19
Synonyms 1,5-bis(2-iodo-3-isopropoxy-4-methoxyphenyl)-3-pentanone 1,5-bis(2-iodo-3-isopropyloxy-4-methoxyphenyl)pentan-3-one
Wiley ID 1413758